分子模拟阐明了在溶胀液晶弹性体中的电场致动。
Molecular simulations elucidate electric field actuation in swollen liquid crystal elastomers.
机构信息
Faculty of Mathematics and Physics, University of Ljubljana, SI-1000 Ljubljana, Slovenia.
出版信息
Proc Natl Acad Sci U S A. 2012 Jun 26;109(26):10193-8. doi: 10.1073/pnas.1121235109. Epub 2012 Jun 7.
Abstract
Swollen elastomer liquid crystals undergo significant deformations by application of an electric field perpendicular to their alignment axis, as shown in experiments by Urayama et al. [Urayama K, Honda S, Takigawa T (2006) Macromolecules 39:1943-1949]. Here we clarify this surprising effect at the molecular level using large-scale Monte Carlo simulations of an off-lattice model based on a soft Gay-Berne potential. We provide the internal change of molecular organization, as well as the key observables during the actuation cycle.
摘要
肿胀弹性体液晶通过施加垂直于其取向轴的电场会发生显著变形，这在 Urayama 等人的实验中得到了证实。[Urayama K, Honda S, Takigawa T (2006) Macromolecules 39:1943-1949]。在这里，我们使用基于软 Gay-Berne 势的无格子模型的大规模蒙特卡罗模拟，在分子水平上澄清了这一令人惊讶的效应。我们提供了分子组织的内部变化，以及在致动循环期间的关键可观察量。
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